6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one

C15H13N3OS — CID 20855137

IUPAC6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
SMILESCSc1ncc2c(=O)n(Cc3ccccc3)ccc2n1
InChIInChI=1S/C15H13N3OS/c1-20-15-16-9-12-13(17-15)7-8-18(14(12)19)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyZDPPENDYOAVVFR-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.56
Rot. Bonds3

About 6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one

6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 20855137) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
PubChem CID20855137
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
SMILESCSc1ncc2c(=O)n(Cc3ccccc3)ccc2n1
InChIInChI=1S/C15H13N3OS/c1-20-15-16-9-12-13(17-15)7-8-18(14(12)19)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyZDPPENDYOAVVFR-UHFFFAOYSA-N
XLogP2.56
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one (CID 20855137) is 6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one is CSc1ncc2c(=O)n(Cc3ccccc3)ccc2n1.
What is the InChIKey of 6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is ZDPPENDYOAVVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-20-15-16-9-12-13(17-15)7-8-18(14(12)19)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of 6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 283.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 20855137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).